ergo
|
Macros | |
#define | __CVERSION__ |
Functions | |
static int | pw86x_isgga (void) |
static int | pw86x_read (const char *conf_line) |
static real | pw86x_energy (const FunDensProp *dp) |
static void | pw86x_first (FunFirstFuncDrv *ds, real factor, const FunDensProp *dp) |
Variables | |
Functional | PW86xFunctional |
The PW86 exchange functional and its derivative. Contributed by Olav Fossgaard, olav@, May 2002 chem .uit. no
Reference: Phys. Rev. B 33. 8800 (1986)
#define __CVERSION__ |
|
static |
References FunDensProp_::grada, FunDensProp_::gradb, POW, FunDensProp_::rhoa, and FunDensProp_::rhob.
|
static |
|
static |
|
static |
References fun_set_hf_weight.
Functional PW86xFunctional |